2-ethyl-3-(2-fluorophenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate

Systemtic Name: 2-ethyl-3-(2-fluorophenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: 2-ethyl-3-(2-fluorobenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 2-ethyl-3-[(2-fluorophenyl)-oxomethyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate IUPAC Name: 2-ethyl-3-(2-fluorobenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 2-ethyl-3-(2-fluorobenzoyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylate Formula: C19H19FNO3- MolecularWeight: 328.357463

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2CCCCC(C2=C1)C(=O)[O-])C(=O)C3=CC=CC=C3F

Isomeric SMILES

CCC1=C(N2CCCCC(C2=C1)C(=O)[O-])C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C19H20FNO3/c1-2-12-11-16-14(19(23)24)8-5-6-10-21(16)17(12)18(22)13-7-3-4-9-15(13)20/h3-4,7,9,11,14H,2,5-6,8,10H2,1H3,(H,23,24)/p-1